BDBM50329475 (S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide::CHEMBL1270719

SMILES: NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1

InChI Key: InChIKey=UIRMNVOEQMAKFM-DEOSSOPVSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329475   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NR1/NR2A (Homo sapiens (Human))	BDBM50329475 ((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...) Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...				J Med Chem 53: 7441-51 (2010) Article DOI: 10.1021/jm100886h BindingDB Entry DOI: 10.7270/Q2125SX4
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50329475 ((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...) Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...				J Med Chem 62: 6214-6222 (2019) Article DOI: 10.1021/acs.jmedchem.9b00519
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50329475 ((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...) Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...				J Med Chem 62: 6214-6222 (2019) Article DOI: 10.1021/acs.jmedchem.9b00519
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50329475 ((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...) Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...				J Med Chem 53: 7441-51 (2010) Article DOI: 10.1021/jm100886h BindingDB Entry DOI: 10.7270/Q2125SX4
					More data for this Ligand-Target Pair